Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1252299 | 0.91 | GAA (0.50) | ALDH1A1LMNAGAAMAPTHTT | |
| SCHEMBL20157560 | 0.86 | PTPN1 (0.43) | ALDH1A1LMNAGAAMAPTHTT | |
| SCHEMBL21362538 | 0.86 | SRD5A2 (0.39) | ALDH1A1LMNAGAAMAPTHTT | |
| SCHEMBL21362418 | 0.85 | THRA (0.47) | THRB | |
| SCHEMBL20157579 | 0.85 | TP53 (0.38) | ALDH1A1LMNAGAAMAPTHTT | |
| SCHEMBL20157580 | 0.85 | LMNA (0.37) | ALDH1A1LMNAGAAMAPTHTT | |
| SCHEMBL20157757 | 0.84 | LMNA (0.50) | ALDH1A1LMNAGAAMAPTSMN1; SMN2 | |
| SCHEMBL21362417 | 0.84 | CHRNA7 (0.38) | ALDH1A1LMNAGAAMAPTHTT | |
| SCHEMBL20157523 | 0.84 | CES2 (0.39) | ALDH1A1LMNAGAAMAPTHTT | |
| SCHEMBL11528058 | 0.83 | MAPT (0.52) | ALDH1A1LMNAGAAMAPTHTT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |